On Electron Transport in ZrB12, ZrB2 and MgB2

We report on measurements of the temperature dependence of resistivity, $\rho(T)$, for single crystal samples of ZrB$_{12}$, ZrB$_{2}$ and polycrystalline samples of MgB$_{2}$. It is shown that cluster compound ZrB$_{12}$ behaves like a simple metal in the normal state, with a typical Bloch -- Gr\"uneisen $\rho(T)$ dependence. However, the resistive Debye temperature, $T_{R}=300 K$, is three times smaller than $T_{D}$ obtained from specific heat data. We observe the $T^{2}$ term in $\rho(T)$ of these borides, which could be interpreted as an indication of strong electron-electron interaction. Although the $\rho (T)$ dependence of ZrB$_{12}$ reveals a sharp superconductive transition at $T_{c}=6.0 K$, no superconductivity was observed for single crystal samples of ZrB$_{2}$ down to $1.3 K$.Comment: 5 pages, 4 figure

Full Relativistic Electronic Structure and Fermi Surface Sheets of the First Honeycomb-Lattice Pnictide Superconductor SrPtAs

We report full-potential density functional theory (DFT)-based {\it ab initio} band structure calculations to investigate electronic structure properties of the first pnictide superconductor with a honeycomb-lattice structure: SrPtAs. As a result, electronic bands, density of states, Fermi velocities and the topology of the Fermi surface for SrPtAs are obtained. These quantities are discussed in comparison to the first available experimental data. Predictions for future measurements are provided

Electronic Structure of New AFFeAs Prototype of Iron Arsenide Superconductors

This work is provoked by recent discovery of new class prototype systems AFFeAs (A=Sr,Ca) of novel layered ironpnictide High-Tc superconductors (Tc=36K). Here we report ab initio LDA results for electronic structure of the AFFeAs systems. We provide detailed comparison between electronic properties of both new systems and reference LaOFeAs (La111) compound. In the vicinity of the Fermi level all three systems have essentially the same band dispersions. However for iron fluoride systems F(2p) states were found to be separated in energy from As(4p) ones in contrast to La111, where O(2p) states strongly overlaps with As(4p). Thus it should be more plausible to include only Fe(3d) and As(4p) orbitals into a realistic noninteracting model than for La111. Moreover Sr substitution with smaller ionic radius Ca in AFFeAs materials leads to a lattice contruction and stronger Fe(3d)-As(4p) hybridization resulting in smaller value of the density of states at the Fermi level in the case of Ca compound. So to some extend Ca system reminds RE111 with later Rare Earths. However Fermi surface of new fluorides is found to be nearly perfect two-dimensional. Also we do not expect strong dependence of superconducting properties with respect to different types of A substitutes.Comment: 5 pages, 4 figure

Contrasting Pressure Effects in Sr2VFeAsO3 and Sr2ScFePO3

We report the resistivity measurements under pressure of two Fe-based superconductors with a thick perovskite oxide layer, Sr2VFeAsO3 and Sr2ScFePO3. The superconducting transition temperature Tc of Sr2VFeAsO3 markedly increases with increasing pressure. Its onset value, which was Tc{onset}=36.4 K at ambient pressure, increases to Tc{onset}=46.0 K at ~4 GPa, ensuring the potential of the "21113" system as a high-Tc material. However, the superconductivity of Sr2ScFePO3 is strongly suppressed under pressure. The Tc{onset} of ~16 K decreases to ~5 K at ~4 GPa, and the zero-resistance state is almost lost. We discuss the factor that induces this contrasting pressure effect.Comment: 5 pages, 4 figures, to be published in J. Phys. Soc. Jpn. No.12 (2009

Magnetic Ordering in V-Layers of the Superconducting System of Sr2VFeAsO3

Results of transport, magnetic, thermal, and 75As-NMR measurements are presented for superconducting Sr2VFeAsO3 with an alternating stack of FeAs and perovskite-like block layers. Although apparent anomalies in magnetic and thermal properties have been observed at ~150 K, no anomaly in transport behaviors has been observed at around the same temperature. These results indicate that V ions in the Sr2VO3-block layers have localized magnetic moments and that V-electrons do not contribute to the Fermi surface. The electronic characteristics of Sr2VFeAsO3 are considered to be common to those of other superconducting systems with Fe-pnictogen layers.Comment: 4 pages, 4 figures, To appear in JPSJ 79 (2010) 12371

Electron transport, penetration depth and upper critical magnetic field of ZrB12 and MgB2

We report on the synthesis and measurements of the temperature dependence of resistivity, R(T), the penetration depth, l(T), and upper critical magnetic field, Hc2(T), for polycrystalline samples of dodecaboride ZrB12 and diboride MgB2. We conclude that ZrB12 as well as MgB2 behave like simple metals in the normal state with usual Bloch-Gruneisen temperature dependence of resistivity and with rather low resistive Debye temperature, TR=280 K, for ZrB12 (as compared to MgB2 with TR=900 K). The R(T) and l(T) dependencies of ZrB12 reveal a superconducting transition at Tc=6.0 K. Although a clear exponential l(T)dependence in MgB2 thin films and ceramic pellets was observed at low temperatures, this dependence was almost linear for ZrB12 below Tc/2. These features indicate s-wave pairing state in MgB2, whereas a d-wave pairing state is possible in ZrB12. A fit to the data gives a reduced energy gap 2D(0)/kTc=1.6 for MgB2 films and pellets, in good agreement with published data for 3D \pi - sheets of the Fermi surface. Contrary to conventional theories we found a linear temperature dependence of Hc2(T) for ZrB12 (Hc2(0)=0.15 T).Comment: 8 pages, 10 figures, submitted to JET

Contrast of LiFeAs with isostructural, isoelectronic, and non-superconducting MgFeGe

Stoichiometric LiFeAs at ambient pressure is an 18 K superconductor while isoelectronic MgFeGe is not, despite their extremely similar electronic structures. To investigate possible sources of this distinctively different superconducting behavior, we quantify the differences using first principles density functional theory, establishing first that the Fe total 3d occupations are identical in the two compounds. Individual 3d orbital occupations also differ very little ($\sim 0.01$). The differences in Fermi surfaces (FSs) do not seem significant; however a redistribution of bands just above the Fermi level does represent a possibly significant distinction. Because the bands and FSs of LiFeAs are less in agreement with experiment than for other iron-pnictides, we study the effects of additional exchange-correlations effects beyond GGA (the generalized gradient approximation) by applying the modified Becke-Johnson potential (mBJ) exchange potential, which gives much improved bandgaps in insulators compared to GGA and might be useful for semimetals such as the Fe-based superconductors. Overall, we conclude that the mBJ corrections do not improve the description of LiFeAs as compared to experiment